From: pw_forum-boun...@pwscf.org [pw_forum-boun...@pwscf.org] on behalf of Tone
Kokalj [tone.kok...@ijs.si]
Sent: 11 April 2017 09:59
To: pw_forum@pwscf.org
Subject: Re: [Pw_forum] Xcrysden and crystal_sg ATOMIC_POSITION
On Tue, 2017-04-11 at 08:37 +, Daniel Reta wrote:
> Hi,
>
>
On Tue, 2017-04-11 at 08:37 +, Daniel Reta wrote:
> Hi,
>
> I have a crystal with two molecular units in the unit cell, but they
> are related by an inversion centre (triclinic). I am indicating the
> inequivalent atomic positions only, using the appropriate space_group
> and crystal_sg.
xcr
Hi,
I have a crystal with two molecular units in the unit cell, but they are
related by an inversion centre (triclinic). I am indicating the inequivalent
atomic positions only, using the appropriate space_group and crystal_sg. When I
submit the job, the output contains the correct number of ato
